Valifenalate

CAS Registry Number®

283159-90-0

CAS Name

Valifenalate

Molecular Formula

C19H27ClN2O5

Molecular Mass

398.88

Cite this Page

Valifenalate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=283159-90-0 (retrieved 2024-11-22) (CAS RN: 283159-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1

InChIKey

InChIKey=DBXFMOWZRXXBRN-LWKPJOBUSA-N

SMILES

C(NC([C@@H](NC(OC(C)C)=O)[C@H](C)C)=O)(CC(OC)=O)C1=CC=C(Cl)C=C1

Canonical SMILES

O=C(OC(C)C)NC(C(=O)NC(C1=CC=C(Cl)C=C1)CC(=O)OC)C(C)C

Other Names for this Substance

  • β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester
  • IR 5885
  • Valiphenal
  • Valifenalate

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